mirror of https://github.com/abinit/abipy.git
176 lines
9.2 KiB
ReStructuredText
176 lines
9.2 KiB
ReStructuredText
.. Links to websites
|
|
.. _Sphinx: http://sphinx.pocoo.org
|
|
.. _Abinit: https://www.abinit.org
|
|
.. _abiconfig: https://github.com/abinit/abiconfig
|
|
.. _abiflows: https://github.com/abinit/abiflows
|
|
.. _abitutorials: https://github.com/abinit/abitutorials
|
|
.. _abiconda: https://github.com/abinit/abiconda
|
|
.. _pseudo-dojo: http://www.pseudo-dojo.org/
|
|
.. _pseudo-dojo repository: https://github.com/abinit/pseudo_dojo
|
|
.. _pymatgen: http://www.pymatgen.org
|
|
.. _fireworks: https://materialsproject.github.io/fireworks/
|
|
.. _mongodb: https://www.mongodb.com/
|
|
.. _mongoengine: http://mongoengine.org/
|
|
.. _`materials project`: https://materialsproject.org/
|
|
.. _conda: https://conda.io/docs/
|
|
.. _Anaconda: https://continuum.io/downloads
|
|
.. _abinit-channel: https://anaconda.org/abinit
|
|
.. _matsci: http://materials.sh/
|
|
.. _spack: https://github.com/LLNL/spack
|
|
.. _pickle: https://docs.python.org/3/library/pickle.html#module-pickle
|
|
.. _matplotlib: http://matplotlib.org
|
|
.. _pandas: http://pandas.pydata.org
|
|
.. _scipy: https://www.scipy.org/
|
|
.. _numpy: http://www.numpy.org/
|
|
.. _seaborn: https://seaborn.pydata.org/
|
|
.. _simpy: https://simpy.readthedocs.io/en/latest/
|
|
.. _networkx: https://networkx.github.io/
|
|
.. _pytest: https://docs.pytest.org/en/latest/contents.html
|
|
.. _netcdf4-python: http://unidata.github.io/netcdf4-python/
|
|
.. _nbformat: https://github.com/jupyter/nbformat
|
|
.. _pip: https://pypi.python.org/pypi/pip
|
|
.. _ipython: https://ipython.org/index.html
|
|
.. _jupyter: http://jupyter.org/
|
|
.. _Python: http://www.python.org/
|
|
.. _spglib: https://atztogo.github.io/spglib/
|
|
.. _bader: http://theory.cm.utexas.edu/henkelman/code/bader/
|
|
.. _ase: https://wiki.fysik.dtu.dk/ase/
|
|
.. _COD: http://www.crystallography.net/cod/
|
|
.. _CIF: http://www.iucr.org/resources/cif
|
|
.. _vesta: http://jp-minerals.org/vesta/en/
|
|
.. _xcrysden: http://www.xcrysden.org/
|
|
.. _xmgrace: http://plasma-gate.weizmann.ac.il/Grace/
|
|
.. _gnuplot: http://www.gnuplot.info/
|
|
.. _ovito: https://ovito.org/
|
|
.. _v_sim: http://inac.cea.fr/L_Sim/V_Sim/
|
|
.. _mayavi: http://docs.enthought.com/mayavi/mayavi/
|
|
.. _avogadro: https://avogadro.cc/
|
|
.. _nbjsmol: https://github.com/gmatteo/nbjsmol
|
|
.. _phononwebsite: http://henriquemiranda.github.io/phononwebsite/
|
|
.. _phonopy: https://atztogo.github.io/phonopy/
|
|
.. _netcdf: https://www.unidata.ucar.edu/software/netcdf/docs/faq.html#whatisit
|
|
.. _ipywidgets: https://github.com/jupyter-widgets/ipywidgets
|
|
.. _YAML: https://en.wikipedia.org/wiki/YAML
|
|
.. _JSON: https://en.wikipedia.org/wiki/JSON
|
|
.. _slurm: https://slurm.schedmd.com/
|
|
.. _pbspro: http://pbspro.org/
|
|
.. _sge: http://gridscheduler.sourceforge.net/howto/GridEngineHowto.html
|
|
.. _torque: http://www.adaptivecomputing.com/products/open-source/torque/
|
|
.. _moab: http://www.adaptivecomputing.com/products/hpc-products/moab-hpc-basic-edition/
|
|
.. _loadleveler: https://www.ibm.com/support/knowledgecenter/en/SSFJTW
|
|
|
|
.. Links to important python objects.
|
|
.. _POSCAR: http://cms.mpi.univie.ac.at/vasp/guide/node59.html
|
|
.. _DataFrame: https://pandas.pydata.org/pandas-docs/stable/generated/pandas.DataFrame.html
|
|
.. _DataFrames: https://pandas.pydata.org/pandas-docs/stable/generated/pandas.DataFrame.html
|
|
|
|
.. Links to jupyter notebooks associated to AbiPy files available at
|
|
https://nbviewer.jupyter.org/github/abinit/abitutorials/blob/master/abitutorials/index.ipynb?flush_cache=true
|
|
.. _AbipyStructure: https://nbviewer.jupyter.org/github/abinit/abitutorials/blob/master/abitutorials/structure.ipynb
|
|
.. _AbinitInput: https://nbviewer.jupyter.org/github/abinit/abitutorials/blob/master/abitutorials/abinit_input.ipynb
|
|
.. _GSR.nc: https://nbviewer.jupyter.org/github/abinit/abitutorials/blob/master/abitutorials/gsr.ipynb
|
|
.. _HIST.nc: https://nbviewer.jupyter.org/github/abinit/abitutorials/blob/master/abitutorials/hist.ipynb
|
|
.. _FATBANDS.nc: https://nbviewer.jupyter.org/github/abinit/abitutorials/blob/master/abitutorials/efatbands.ipynb
|
|
.. _DDB: https://nbviewer.jupyter.org/github/abinit/abitutorials/blob/master/abitutorials/ddb.ipynb
|
|
.. _SIGRES.nc: https://nbviewer.jupyter.org/github/abinit/abitutorials/blob/master/abitutorials/sigres.ipynb
|
|
|
|
.. Important Abipy objects.
|
|
.. |AttrDict| replace:: :class:`monty.collections.AttrDict`
|
|
.. |Function1D| replace:: :class:`abipy.core.func1d.Function1D`
|
|
.. |Mesh3d| replace:: :class:`abipy.core.mesh3d.Mesh3d`
|
|
.. |GSphere| replace:: :class:`abipy.core.gsphere.GSphere`
|
|
.. |Kpoint| replace:: :class:`abipy.core.kpoints.Kpoint`
|
|
.. |KpointList| replace:: :class:`abipy.core.kpoints.KpointList`
|
|
.. |Kpath| replace:: :class:`abipy.core.kpoints.Kpath`
|
|
.. |IrredZone| replace:: :class:`abipy.core.kpoints.IrredZone`
|
|
.. |KpointStar| replace:: :class:`abipy.core.kpoints.KpointStar`
|
|
.. |Structure| replace:: :class:`abipy.core.structure.Structure`
|
|
.. |pymatgen-Structure| replace:: :class:`pymatgen.core.structure.Structure`
|
|
.. |Lattice| replace:: :class:`pymatgen.core.lattice.Lattice`
|
|
.. |AbinitInput| replace:: :class:`abipy.abio.inputs.AbinitInput`
|
|
.. |AnaddbInput| replace:: :class:`abipy.abio.inputs.AnaddbInput`
|
|
.. |MultiDataset| replace:: :class:`abipy.abio.inputs.MultiDataset`
|
|
.. |ElectronBands| replace:: :class:`abipy.electrons.ebands.ElectronBands`
|
|
.. |ElectronBandsPlotter| replace:: :class:`abipy.electrons.ebands.ElectronBandsPlotter`
|
|
.. |SkwInterpolator| replace:: :class:`abipy.core.skw.SkwInterpolator`
|
|
.. |ElectronDos| replace:: :class:`abipy.electrons.ebands.ElectronDos`
|
|
.. |ElectronDosPlotter| replace:: :class:`abipy.electrons.ebands.ElectronDosPlotter`
|
|
.. |PhononBands| replace:: :class:`abipy.dfpt.phonons.PhononBands`
|
|
.. |Task| replace:: :class:`pymatgen.io.abinit.tasks.Task`
|
|
.. |ScfTask| replace:: :class:`pymatgen.io.abinit.tasks.ScfTask`
|
|
.. |NscfTask| replace:: :class:`pymatgen.io.abinit.tasks.NscfTask`
|
|
.. |Flow| replace:: :class:`pymatgen.io.abinit.flows.Flow`
|
|
.. |Work| replace:: :class:`pymatgen.io.abinit.works.Work`
|
|
.. |TaskManager| replace:: :class:`pymatgen.io.abinit.tasks.TaskManager`
|
|
.. |GsrFile| replace:: :class:`abipy.electrons.gsr.GsrFile`
|
|
.. |GsrRobot| replace:: :class:`abipy.electrons.gsr.GsrRobot`
|
|
.. |DdbFile| replace:: :class:`abipy.dfpt.ddb.DdbFile`
|
|
.. |DielectricTensorGenerator| replace:: :class:`abipy.dfpt.ddb.DielectricTensorGenerator`
|
|
.. |DdbRobot| replace:: :class:`abipy.dfpt.ddb.DdbRobot`
|
|
.. |AnaddbNcFile| replace:: :class:`abipy.dfpt.anaddb.AnaddbNcFile`
|
|
.. |pmg-Tensor| replace:: :class:`pymatgen.analysis.elasticity.tensors.Tensor`
|
|
.. |pmg-Stress| replace:: :class:`pymatgen.analysis.elasticity.stress.Stress`
|
|
.. |ElasticData| replace:: :class:`abipy.dfpt.elastic.ElasticData`
|
|
.. |PhbstFile| replace:: :class:`abipy.dfpt.phonons.PhbstFile`
|
|
.. |PhdosFile| replace:: :class:`abipy.dfpt.phonons.PhdosFile`
|
|
.. |PhononDos| replace:: :class:`abipy.dfpt.phonons.PhononDos`
|
|
.. |PhononBandsPlotter| replace:: :class:`abipy.dfpt.phonons.PhononBandsPlotter`
|
|
.. |PhononDosPlotter| replace:: :class:`abipy.dfpt.phonons.PhononDosPlotter`
|
|
.. |Pseudo| replace:: :class:`pymatgen.io.abinit.pseudos.Pseudo`
|
|
.. |PseudoTable| replace:: :class:`pymatgen.io.abinit.pseudos.PseudoTable`
|
|
.. |Visualizer| replace:: :class:`abipy.iotools.visualizer.Visualizer`
|
|
.. |SigresFile| replace:: :class:`abipy.electrons.gw.SigresFile`
|
|
|
|
.. Important objects provided by libraries.
|
|
.. |matplotlib-Figure| replace:: :class:`matplotlib.figure.Figure`
|
|
.. |matplotlib-Axes| replace:: :class:`matplotlib.axes.Axes`
|
|
.. |pandas-DataFrame| replace:: :class:`pandas.DataFrame`
|
|
.. |pandas-DataFrames| replace:: :class:`pandas.DataFrame`
|
|
.. |numpy-array| replace:: :class:`numpy.ndarray`
|
|
|
|
|
|
.. Badges
|
|
.. |pypi-version| image:: https://badge.fury.io/py/abipy.svg
|
|
:alt: PyPi version
|
|
:target: https://badge.fury.io/py/abipy
|
|
|
|
.. |travis-status| image:: https://travis-ci.org/abinit/abipy.svg?branch=develop
|
|
:alt: Travis status
|
|
:target: https://travis-ci.org/abinit/abipy
|
|
|
|
.. |coverage-status| image:: https://coveralls.io/repos/github/abinit/abipy/badge.svg?branch=develop
|
|
:alt: Coverage status
|
|
:target: https://coveralls.io/github/abinit/abipy?branch=develop
|
|
|
|
.. |download-with-anaconda| image:: https://anaconda.org/abinit/abipy/badges/installer/conda.svg
|
|
:alt: Download with Anaconda
|
|
:target: https://conda.anaconda.org/abinit
|
|
|
|
.. |abipy-license| image:: https://img.shields.io/badge/license-GPL-blue.svg
|
|
:alt: AbiPy license
|
|
:target: https://opensource.org/licenses/gpl-2.0.php
|
|
|
|
.. |launch-binder| image:: https://mybinder.org/badge.svg
|
|
:alt: Launch binder
|
|
:target: https://mybinder.org/v2/gh/abinit/abipy/develop
|
|
|
|
.. |launch-nbviewer| image:: https://img.shields.io/badge/render-nbviewer-orange.svg
|
|
:alt: Launch nbviewer
|
|
:target: https://nbviewer.jupyter.org/github/abinit/abitutorials/blob/master/abitutorials/index.ipynb
|
|
|
|
.. |supported-versions| image:: https://img.shields.io/pypi/pyversions/abipy.svg?style=flat
|
|
:alt: Supported versions
|
|
:target: https://pypi.python.org/pypi/abipy
|
|
|
|
.. |requires| image:: https://requires.io/github/abinit/abipy/requirements.svg?branch=develop
|
|
:target: https://requires.io/github/abinit/abipy/requirements/?branch=develop
|
|
:alt: Requirements Status
|
|
|
|
.. |docs-stable| image:: https://img.shields.io/badge/docs-stable_version-blue.svg
|
|
:alt: Documentation stable version
|
|
:target: http://pythonhosted.org/abipy/
|
|
|
|
.. |docs-devel| image:: https://img.shields.io/badge/docs-devel_version-ff69b4.svg
|
|
:alt: Documentation development version
|
|
:target: http://abinit.github.io/abipy
|